(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione

C19H15NO3 — CID 66573824

IUPAC(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione
SMILESCN1C(=O)C2(CC(=O)/C(=C/c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C19H15NO3/c1-20-15-10-6-5-9-14(15)19(18(20)22)12-16(21)17(23-19)11-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b17-11-
InChIKeyHYZANMULLPBXDB-BOPFTXTBSA-N
MW305.33 g/mol
LogP2.89
Rot. Bonds1

About (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione

(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione (PubChem CID 66573824) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione.

Molecular Properties

Compound Name(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione
PubChem CID66573824
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione
SMILESCN1C(=O)C2(CC(=O)/C(=C/c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C19H15NO3/c1-20-15-10-6-5-9-14(15)19(18(20)22)12-16(21)17(23-19)11-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b17-11-
InChIKeyHYZANMULLPBXDB-BOPFTXTBSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione
CID 141481958
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(2R,6S)-2-[(4-methoxyphenoxy)methyl]-1',4-dimethylspiro[2,5-dihydropyran-6,3'-indole]-2'-one
CID 73440849
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
1-methyl-3-phenyl-3-pyrrolidin-1-ylindol-2-one
CID 102519174
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
CID 177386662
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1,4,4-trimethyl-3H-quinolin-2-one
CID 14010251
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568

Frequently Asked Questions

What is the IUPAC name of (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione?
The IUPAC name of (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione (CID 66573824) is (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione.
What is the SMILES notation for (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione?
The canonical SMILES for (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione is CN1C(=O)C2(CC(=O)/C(=C/c3ccccc3)O2)c2ccccc21.
What is the InChIKey of (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione?
The InChIKey is HYZANMULLPBXDB-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20-15-10-6-5-9-14(15)19(18(20)22)12-16(21)17(23-19)11-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b17-11-.
What are the key properties of (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione?
(2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione has a molecular weight of 305.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'Z)-2'-benzylidene-1-methylspiro[indole-3,5'-oxolane]-2,3'-dione is sourced from PubChem (CID 66573824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).